UCSF

ZINC38573869

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 30 Yes

Popular Name: (2R,7aS)-5,6-dimethoxy-N-[2-(5-methoxy-2H-indol-3-yl)ethyl]-1-methyl-2,3,7,7a-tetrahydroindole-2-car (2R,7aS)-5,6-dimethoxy-N-[2-(5-m…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.64 7.62 -47.97 3 7 1 77 412.51 7 ↓
Hi High (pH 8-9.5) 0.64 5.12 -16.22 2 7 0 76 411.502 7 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.